Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.F3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.26 C 0.23 F 0.2 I 0.11 E 0.08 D 0.03 N 0.02 L 0.01 M 0.01 C Shift Assignments>> CA :: 57.802 CB :: 38.341 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.462 HA :: 4.564 HB2 :: 2.946 HB3 :: 3.057 HD1 :: 7.177 HD2 :: 7.177 HE1 :: 7.211 HE2 :: 7.211 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 120.777 Ave N Shift Values>> N :: 120.69(4.18) 1.G4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.08 C 0.08 R 0.02 C Shift Assignments>> C :: 173.983 CA :: 45.442 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.209 HA2 :: 3.920 HA3 :: 3.920 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.138 Ave N Shift Values>> N :: 109.91(4.29) 1.Q5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 Q 0.23 E 0.19 K 0.17 M 0.11 R 0.01 C Shift Assignments>> C :: 176.167 CA :: 55.850 CB :: 29.874 CG :: 34.586 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.296 HA :: 4.441 HB2 :: 2.037 HB3 :: 2.197 HG2 :: 2.361 HG3 :: 2.455 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.608 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Q6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 C 0.25 K 0.24 E 0.14 R 0.04 M 0.03 I 0.01 C Shift Assignments>> C :: 176.027 CA :: 56.018 CB :: 28.686 CG :: 34.318 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.590 HA :: 4.339 HB2 :: 2.120 HB3 :: 2.014 HG2 :: 2.428 HG3 :: 2.428 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.336 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.S7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.019 CA :: 58.268 CB :: 63.756 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.342 HA :: 4.387 HB2 :: 3.851 HB3 :: 3.765 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.450 Ave N Shift Values>> N :: 116.3(3.95) 1.V8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.58 C 0.41 C Shift Assignments>> C :: 176.191 CA :: 61.894 CB :: 31.215 CG1 :: 20.773 CG2 :: 18.631 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.017 HA :: 3.886 HB :: 1.316 HG11 :: 0.304 HG12 :: 0.304 HG13 :: 0.304 HG21 :: 0.266 HG22 :: 0.266 HG23 :: 0.266 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.702 Ave N Shift Values>> N :: 121.02(4.96) 1.S9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.459 CA :: 59.309 CB :: 63.399 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.085 HA :: 4.234 HB2 :: 3.801 HB3 :: 3.801 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.078 Ave N Shift Values>> N :: 116.3(3.95) 1.N10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 C 0.17 D 0.15 Y 0.08 F 0.06 L 0.02 E 0.02 C Shift Assignments>> CA :: 53.293 CB :: 38.457 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.430 HA :: 4.804 HB2 :: 2.804 HB3 :: 2.928 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 119.032 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.K11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 K 0.3 R 0.29 G 0.01 M 0.01 C Shift Assignments>> C :: 174.497 CA :: 55.347 CB :: 35.302 CG :: 25.469 CD :: 29.491 CE :: 42.452 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.669 HA :: 4.554 HB2 :: 1.944 HB3 :: 1.539 HG2 :: 1.327 HG3 :: 1.256 HD2 :: 1.415 HD3 :: 1.415 HE2 :: 2.885 HE3 :: 2.885 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.339 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 C 0.22 G 0.06 R 0.06 C Shift Assignments>> C :: 175.551 CA :: 53.769 CB :: 42.990 CG :: 27.257 CD1 :: 24.754 CD2 :: 24.616 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.852 HA :: 4.520 HB2 :: 1.454 HB3 :: 1.058 HG :: 1.193 HD11 :: 0.830 HD12 :: 0.830 HD13 :: 0.830 HD21 :: 0.758 HD22 :: 0.758 HD23 :: 0.758 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.704 Ave N Shift Values>> N :: 121.98(4.07) 1.L13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.4 A 0.01 R 0.01 C Shift Assignments>> C :: 175.719 CA :: 55.682 CB :: 40.407 CG :: 27.238 CD1 :: 23.364 CD2 :: 25.503 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.547 HA :: 3.355 HB2 :: 1.597 HB3 :: 1.085 HG :: 0.956 HD11 :: 0.335 HD12 :: 0.335 HD13 :: 0.335 HD21 :: 0.657 HD22 :: 0.657 HD23 :: 0.657 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 127.473 Ave N Shift Values>> N :: 121.98(4.07) 1.A14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.64 M 0.17 L 0.09 C 0.06 C Shift Assignments>> C :: 176.731 CA :: 52.115 CB :: 21.098 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.006 HA :: 4.414 HB1 :: 1.107 HB2 :: 1.107 HB3 :: 1.107 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 130.968 Ave N Shift Values>> N :: 123.23(3.7) 1.W15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.16 K 0.14 M 0.13 R 0.12 W 0.12 E 0.1 H 0.09 Q 0.05 V 0.04 I 0.01 HN Overlap>> 1.F107 1.F107 C Shift Assignments>> C :: 172.863 CA :: 57.630 CB :: 31.931 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.481 HA :: 4.387 HB2 :: 2.376 HB3 :: 2.910 HD1 :: 7.221 HE1 :: 9.886 HE3 :: 6.802 HZ2 :: 5.512 HZ3 :: 6.440 HH2 :: 5.912 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 118.728 NE1 :: 128.901 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.S16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 171.285 CA :: 56.432 CB :: 65.160 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.183 HA :: 4.554 HB2 :: 3.400 HB3 :: 3.556 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 120.622 Ave N Shift Values>> N :: 116.3(3.95) 1.G17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.14 L 0.04 C Shift Assignments>> C :: 172.430 CA :: 46.651 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.578 HA2 :: 3.764 HA3 :: 3.488 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.157 Ave N Shift Values>> N :: 109.91(4.29) 1.V18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 V 0.45 C Shift Assignments>> C :: 172.653 CA :: 60.958 CB :: 36.027 CG1 :: 21.893 CG2 :: 21.270 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.474 HA :: 4.909 HB :: 1.863 HG11 :: 0.870 HG12 :: 0.870 HG13 :: 0.870 HG21 :: 0.889 HG22 :: 0.889 HG23 :: 0.889 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 124.887 Ave N Shift Values>> N :: 121.02(4.96) 1.L19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.53 C 0.26 L 0.18 C Shift Assignments>> C :: 174.319 CA :: 53.528 CB :: 46.308 CD1 :: 24.690 CD2 :: 25.872 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.917 HA :: 5.326 HB2 :: 2.191 HB3 :: 1.718 HD11 :: 0.895 HD12 :: 0.895 HD13 :: 0.895 HD21 :: 0.811 HD22 :: 0.811 HD23 :: 0.811 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 128.396 Ave N Shift Values>> N :: 121.98(4.07) 1.E20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.89 M 0.05 E 0.04 C Shift Assignments>> C :: 174.123 CA :: 54.373 CB :: 34.239 CG :: 38.072 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.192 HA :: 5.542 HB2 :: 1.791 HB3 :: 1.902 HG2 :: 1.937 HG3 :: 2.188 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 126.968 Ave N Shift Values>> N :: 120.68(3.68) 1.W21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.18 K 0.18 M 0.18 Q 0.18 W 0.06 R 0.06 H 0.05 E 0.03 V 0.03 C Shift Assignments>> C :: 172.542 CA :: 56.791 CB :: 33.345 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.772 HA :: 5.207 HB2 :: 3.097 HB3 :: 3.299 HD1 :: 6.716 HE1 :: 10.493 HE3 :: 6.569 HZ2 :: 7.076 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 123.479 NE1 :: 129.516 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.Q22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.32 C 0.29 Q 0.17 E 0.13 K 0.05 C Shift Assignments>> C :: 175.670 CA :: 54.138 CB :: 31.394 CG :: 34.497 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.591 HA :: 4.968 HB2 :: 1.904 HB3 :: 1.864 HG2 :: 2.285 HG3 :: 2.285 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 117.663 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 E 0.33 M 0.18 I 0.02 K 0.01 HN Overlap>> 1.R122 1.R122 1.L124 1.L124 C Shift Assignments>> CA :: 55.446 CB :: 31.646 CG :: 36.910 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.582 HA :: 4.414 HB2 :: 1.749 HB3 :: 1.749 HG2 :: 2.144 HG3 :: 2.104 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.472 Ave N Shift Values>> N :: 120.68(3.68) 1.K24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.21 C 0.19 K 0.14 H 0.12 R 0.11 W 0.08 Q 0.06 E 0.05 C Shift Assignments>> C :: 174.441 CA :: 54.071 CB :: 32.183 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.437 HA :: 4.594 HB2 :: 1.804 HB3 :: 1.670 HG2 :: 1.423 HG3 :: 1.423 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.642 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.P25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.84 C 0.15 C Shift Assignments>> CA :: 63.757 CB :: 30.721 CG :: 27.860 CD :: 50.765 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.456 HB2 :: 2.359 HB3 :: 2.144 HD2 :: 3.740 HD3 :: 3.634 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.K26 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Q 0.17 W 0.15 H 0.14 E 0.14 C 0.13 R 0.11 I 0.04 L 0.03 M 0.03 K 0.01 HN Overlap>> 1.N80 1.N80 C Shift Assignments>> CA :: 57.297 CB :: 28.891 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.886 HA :: 4.548 HE2 :: 3.733(S) HE3 :: 3.733(S) Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.774 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.P27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.85 C 0.14 C Shift Assignments>> CA :: 64.076 CB :: 31.394 CD :: 50.944 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.314 HD2 :: 3.642 HD3 :: 3.831 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.A28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.72 M 0.24 C 0.02 C Shift Assignments>> C :: 177.428 CA :: 52.779 CB :: 18.495 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.341 HA :: 4.244 HB1 :: 1.380 HB2 :: 1.380 HB3 :: 1.380 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.191 Ave N Shift Values>> N :: 123.23(3.7) 1.S29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.832 CA :: 58.374 CB :: 64.024 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.917 HA :: 4.429 HB2 :: 3.891 HB3 :: 3.819 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 113.434 Ave N Shift Values>> N :: 116.3(3.95) 1.V30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.76 C 0.23 C Shift Assignments>> C :: 175.808 CA :: 62.815 CB :: 32.004 CG1 :: 20.327 CG2 :: 20.221 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.124 HA :: 4.077 HB :: 2.151 HG11 :: 0.910 HG12 :: 0.910 HG13 :: 0.910 HG21 :: 0.900 HG22 :: 0.900 HG23 :: 0.900 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.520 Ave N Shift Values>> N :: 121.02(4.96) 1.D31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.19 K 0.12 C 0.1 N 0.1 F 0.07 Y 0.06 R 0.03 C Shift Assignments>> C :: 175.977 CA :: 54.067 CB :: 41.228 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.213 HA :: 4.578 HB2 :: 2.730 HB3 :: 2.608 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.696 Ave N Shift Values>> N :: 120.73(4.2) 1.A32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.7 M 0.25 C 0.02 C Shift Assignments>> C :: 177.568 CA :: 53.057 CB :: 19.031 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.165 HA :: 4.191 HB1 :: 1.363 HB2 :: 1.363 HB3 :: 1.363 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.925 Ave N Shift Values>> N :: 123.23(3.7) 1.N33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.4 D 0.2 C 0.16 Y 0.08 F 0.07 L 0.04 E 0.01 C Shift Assignments>> C :: 175.383 CA :: 53.399 CB :: 38.904 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.465 HA :: 4.683 HB2 :: 2.861 HB3 :: 2.776 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 116.359 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.T34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 C 0.05 C Shift Assignments>> C :: 174.022 CA :: 62.432 CB :: 69.567 CG2 :: 21.268 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.826 HA :: 4.198 HB :: 4.111 HG21 :: 1.187 HG22 :: 1.187 HG23 :: 1.187 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 114.928 Ave N Shift Values>> N :: 115.7(5.05) 1.K35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.19 K 0.18 C 0.17 Q 0.13 R 0.08 H 0.07 W 0.07 E 0.05 V 0.02 C Shift Assignments>> C :: 175.809 CA :: 56.052 CB :: 32.799 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.296 HA :: 4.384 HB2 :: 1.695 HB3 :: 1.695 HG2 :: 1.428 HG3 :: 1.428 HE2 :: 2.887 HE3 :: 2.887 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.629 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.68 C 0.23 K 0.02 G 0.02 A 0.01 HN Overlap>> 1.F146 1.F146 C Shift Assignments>> C :: 176.280 CA :: 54.675 CB :: 42.374 CD1 :: 24.911 CD2 :: 23.681 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.470 HA :: 4.361 HB2 :: 1.516 HB3 :: 1.516 HD11 :: 0.799 HD12 :: 0.799 HD13 :: 0.799 HD21 :: 0.716 HD22 :: 0.716 HD23 :: 0.716 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.773 Ave N Shift Values>> N :: 121.98(4.07) 1.T37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.854 CA :: 62.310 CB :: 69.567 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.023 HA :: 4.474 HB :: 3.844 HG21 :: 0.990 HG22 :: 0.990 HG23 :: 0.990 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.260 Ave N Shift Values>> N :: 115.7(5.05) 1.R38 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> R 0.45 C 0.32 K 0.16 G 0.04 C Shift Assignments>> C :: 173.463 CA :: 53.327 CB :: 31.378 CG :: 26.988 CD :: 42.737 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.595 HA :: 4.148 HB2 :: 0.556(S) HB3 :: -0.297(A) HG2 :: 1.101 HG3 :: 1.101 HD2 :: 2.871 HD3 :: 2.784 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 127.090 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.S39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 173.743 CA :: 56.992 CB :: 65.365 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.739 HA :: 5.312 HB2 :: 3.667 HB3 :: 3.554 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 111.583 Ave N Shift Values>> N :: 116.3(3.95) 1.L40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.58 C 0.34 L 0.06 C Shift Assignments>> C :: 173.966 CA :: 52.090 CB :: 46.844 CD1 :: 26.939 CD2 :: 25.263 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.128 HA :: 5.144 HB2 :: 1.864 HB3 :: 1.807 HD11 :: 0.673 HD12 :: 0.673 HD13 :: 0.673 HD21 :: 1.020 HD22 :: 1.020 HD23 :: 1.020 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.685 Ave N Shift Values>> N :: 121.98(4.07) 1.P41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.66 C 0.33 C Shift Assignments>> CA :: 62.479 CB :: 32.199 CG :: 28.240 CD :: 51.480 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 5.126 HB2 :: 2.383 HB3 :: 2.016 HG2 :: 2.212 HG3 :: 2.212 HD2 :: 3.771 HD3 :: 4.003 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.C42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.14 C 0.13 M 0.13 H 0.13 W 0.12 E 0.11 K 0.1 Q 0.08 V 0.01 C Shift Assignments>> C :: 171.759 CA :: 56.288 CB :: 31.279 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.042 HA :: 5.237 HB2 :: 2.460 HB3 :: 2.984 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 118.866 Ave N Shift Values>> N :: 119.95(4.79) 1.Q43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 M 0.4 E 0.06 Q 0.06 C Shift Assignments>> C :: 174.385 CA :: 54.138 CB :: 33.335 CG :: 34.497 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.724 HA :: 5.070 HB2 :: 2.330 HB3 :: 2.260 HG2 :: 2.084 HG3 :: 2.084 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.240 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.V44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.59 C 0.4 C Shift Assignments>> C :: 174.263 CA :: 60.830 CB :: 34.076 CG1 :: 21.926 CG2 :: 20.780 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.780 HA :: 4.698 HB :: 1.748 HG11 :: 0.080 HG12 :: 0.080 HG13 :: 0.080 HG21 :: 0.515 HG22 :: 0.515 HG23 :: 0.515 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.277 Ave N Shift Values>> N :: 121.02(4.96) 1.Y45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.21 L 0.2 R 0.16 C 0.11 F 0.1 D 0.08 Y 0.08 I 0.01 C Shift Assignments>> C :: 175.726 CA :: 56.757 CB :: 42.195 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 9.213 HA :: 5.295 HB2 :: 2.698 HB3 :: 2.552 HD1 :: 6.642 HD2 :: 6.642 HE1 :: 7.045 HE2 :: 7.045 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 126.051 Ave N Shift Values>> N :: 120.79(4.69) 1.V46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 V 0.27 A 0.02 I 0.01 C Shift Assignments>> C :: 174.832 CA :: 58.604 CB :: 34.586 CG1 :: 22.520 CG2 :: 19.570 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.016 HA :: 4.863 HB :: 2.454 HG11 :: 0.798 HG12 :: 0.798 HG13 :: 0.798 HG21 :: 0.800 HG22 :: 0.800 HG23 :: 0.800 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 114.444 Ave N Shift Values>> N :: 121.02(4.96) 1.N47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.4 D 0.22 C 0.14 Y 0.08 F 0.07 L 0.05 C Shift Assignments>> C :: 176.005 CA :: 53.232 CB :: 39.146 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.779 HA :: 4.848 HB2 :: 2.861 HB3 :: 2.661 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.908 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.H48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.16 E 0.13 C 0.13 R 0.1 H 0.1 Q 0.1 K 0.09 I 0.08 M 0.02 V 0.02 C Shift Assignments>> C :: 176.619 CA :: 59.047 CB :: 29.580 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.692 HA :: 4.174 HB2 :: 3.065 HB3 :: 3.065 HD2 :: 7.063 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 118.811 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.G49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.72 L 0.11 C 0.08 R 0.05 C Shift Assignments>> C :: 174.134 CA :: 45.140 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.651 HA2 :: 4.204 HA3 :: 3.620 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.481 Ave N Shift Values>> N :: 109.91(4.29) 1.E50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 E 0.38 M 0.1 I 0.05 K 0.03 C Shift Assignments>> C :: 175.418 CA :: 55.918 CB :: 30.653 CG :: 37.178 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.839 HA :: 4.369 HB2 :: 1.889 HB3 :: 1.889 HG2 :: 2.204 HG3 :: 2.204 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.002 Ave N Shift Values>> N :: 120.68(3.68) 1.N51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.36 D 0.28 C 0.13 L 0.07 F 0.06 Y 0.06 K 0.01 C Shift Assignments>> C :: 174.050 CA :: 52.694 CB :: 39.798 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.629 HA :: 4.713 HB2 :: 2.782 HB3 :: 2.673 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 119.655 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.19 G 0.13 A 0.02 C Shift Assignments>> C :: 174.832 CA :: 54.370 CB :: 43.447 CD1 :: 23.508 CD2 :: 25.000 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.485 HA :: 4.352 HB2 :: 1.437 HB3 :: 1.122 HD11 :: 0.718 HD12 :: 0.718 HD13 :: 0.718 HD21 :: 0.448 HD22 :: 0.448 HD23 :: 0.448 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 125.159 Ave N Shift Values>> N :: 121.98(4.07) 1.K53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.15 R 0.15 W 0.13 E 0.12 C 0.12 Q 0.12 M 0.08 K 0.06 I 0.01 C Shift Assignments>> C :: 177.569 CA :: 56.052 CB :: 30.484 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.714 HA :: 4.399 HB2 :: 1.814 HB3 :: 1.814 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 125.385 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T54 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.92 C 0.06 C Shift Assignments>> C :: 176.675 CA :: 61.671 CB :: 68.478 CG2 :: 20.325 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.100 HA :: 3.111 HB :: 3.633 HG21 :: -0.326(S) HG22 :: -0.326(S) HG23 :: -0.326(S) Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 113.488 Ave N Shift Values>> N :: 115.7(5.05) 1.E55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 I 0.32 E 0.25 K 0.05 Q 0.01 C Shift Assignments>> C :: 177.541 CA :: 59.779 CB :: 28.428 CG :: 36.642 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.027 HA :: 4.198 HB2 :: 2.122 HB3 :: 2.122 HG2 :: 2.360 HG3 :: 2.287 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 124.738 Ave N Shift Values>> N :: 120.68(3.68) 1.Q56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 Q 0.25 K 0.23 E 0.16 R 0.03 M 0.02 I 0.01 C Shift Assignments>> C :: 176.396 CA :: 55.244 CB :: 28.428 CG :: 34.676 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.565 HA :: 4.563 HB2 :: 2.080 HB3 :: 2.080 HG2 :: 2.426 HG3 :: 2.426 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 115.007 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.W57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.17 Q 0.14 K 0.13 L 0.13 C 0.11 H 0.1 W 0.08 E 0.07 I 0.03 M 0.01 C Shift Assignments>> C :: 174.804 CA :: 56.321 CB :: 27.729 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.100 HA :: 4.788 HB2 :: 3.448 HB3 :: 2.998 HD1 :: 7.046 HE1 :: 9.512 HE3 :: 6.993 HZ2 :: 6.818 HZ3 :: 6.760 HH2 :: 7.458 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 122.193 NE1 :: 126.361 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.P58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.72 C 0.27 C Shift Assignments>> CA :: 62.211 CB :: 32.118 CG :: 27.435 CD :: 50.050 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.759 HB2 :: 2.218 HB3 :: 2.409 HG2 :: 1.828 HG3 :: 1.758 HD2 :: 3.741 HD3 :: 3.091 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.Q59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 E 0.25 K 0.18 Q 0.17 I 0.04 M 0.03 R 0.01 C Shift Assignments>> C :: 175.027 CA :: 57.633 CB :: 28.980 CG :: 35.123 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.400 HA :: 4.570 HB2 :: 2.198 HB3 :: 2.058 HG2 :: 2.481 HG3 :: 2.481 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 116.077 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.K60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 K 0.37 M 0.09 Q 0.04 R 0.02 C Shift Assignments>> C :: 174.273 CA :: 54.272 CB :: 34.255 CG :: 24.351 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.478 HA :: 5.342 HB2 :: 1.636 HB3 :: 1.566 HG2 :: 1.219 HG3 :: 1.090 HE2 :: 2.806 HE3 :: 2.806 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.815 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.39 L 0.37 C 0.16 G 0.05 R 0.01 C Shift Assignments>> C :: 174.804 CA :: 52.694 CB :: 42.732 CG :: 26.099 CD1 :: 24.731 CD2 :: 21.160 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.049 HA :: 4.454 HB2 :: 1.648 HB3 :: 0.982 HG :: 1.522 HD11 :: 0.070 HD12 :: 0.070 HD13 :: 0.070 HD21 :: -0.074 HD22 :: -0.074 HD23 :: -0.074 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 125.494 Ave N Shift Values>> N :: 121.98(4.07) 1.I62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.58 C 0.4 C Shift Assignments>> C :: 175.027 CA :: 59.779 CB :: 37.904 CG1 :: 27.314 CG2 :: 17.666 CD1 :: 12.645 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.371 HA :: 4.791 HB :: 1.828 HG12 :: 1.423 HG13 :: 1.157 HG21 :: 0.866 HG22 :: 0.866 HG23 :: 0.866 HD11 :: 0.780 HD12 :: 0.780 HD13 :: 0.780 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 122.240 Ave N Shift Values>> N :: 121.6(4.72) 1.M63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 E 0.22 M 0.2 C Shift Assignments>> CA :: 54.033 CB :: 37.116 CG :: 32.173 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 9.374 HA :: 5.049 HB2 :: 2.204 HB3 :: 1.618 HG2 :: 2.053 HG3 :: 1.937 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 127.823 Ave N Shift Values>> N :: 120.1(3.88) 1.Q64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 M 0.26 Q 0.22 E 0.13 K 0.1 C Shift Assignments>> C :: 175.251 CA :: 54.239 CB :: 30.842 CG :: 34.318 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.906 HA :: 4.713 HB2 :: 2.163 HB3 :: 2.065 HG2 :: 2.465 HG3 :: 2.382 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 124.742 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 C 0.33 R 0.17 A 0.02 K 0.01 C Shift Assignments>> C :: 176.787 CA :: 54.642 CB :: 41.659 CG :: 28.329 CD1 :: 23.591 CD2 :: 25.719 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.024 HA :: 5.087 HB2 :: 1.845 HB3 :: 1.154 HG :: 1.568 HD11 :: 0.549 HD12 :: 0.549 HD13 :: 0.549 HD21 :: 0.713 HD22 :: 0.713 HD23 :: 0.713 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 126.535 Ave N Shift Values>> N :: 121.98(4.07) 1.I66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 I 0.36 C Shift Assignments>> C :: 172.737 CA :: 57.294 CB :: 41.480 CG1 :: 26.297 CD1 :: 13.458 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.286 HA :: 4.954 HB :: 1.739 HG12 :: 1.461 HG13 :: 1.138 HG21 :: 0.890 HG22 :: 0.890 HG23 :: 0.890 HD11 :: 0.716 HD12 :: 0.716 HD13 :: 0.716 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.385 Ave N Shift Values>> N :: 121.6(4.72) 1.P67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.73 C 0.26 C Shift Assignments>> CA :: 63.152 CB :: 31.168 CG :: 28.508 CD :: 51.391 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 3.952 HB2 :: 1.926 HB3 :: 1.926 HD2 :: 3.940 HD3 :: 3.453 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.Q68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 Q 0.2 K 0.19 E 0.12 I 0.07 R 0.05 P 0.01 HN Overlap>> 1.S130 1.S130 C Shift Assignments>> C :: 178.463 CA :: 59.349 CB :: 27.802 CG :: 34.318 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.704 HA :: 3.699 HB2 :: 2.144 HB3 :: 1.883 HG2 :: 2.271 HG3 :: 2.271 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 124.612 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Q69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 Q 0.24 K 0.23 R 0.09 E 0.08 I 0.02 M 0.01 C Shift Assignments>> C :: 177.653 CA :: 58.340 CB :: 27.802 CG :: 33.782 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.968 HA :: 4.069 HB2 :: 2.055 HB3 :: 1.960 HG2 :: 2.374 HG3 :: 2.374 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.078 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.41 A 0.03 C Shift Assignments>> C :: 178.239 CA :: 56.354 CB :: 40.755 CD1 :: 24.587 CD2 :: 22.449 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.394 HA :: 4.152 HB2 :: 1.640 HB3 :: 1.468 HD11 :: 0.748 HD12 :: 0.748 HD13 :: 0.748 HD21 :: 0.719 HD22 :: 0.719 HD23 :: 0.719 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 116.864 Ave N Shift Values>> N :: 121.98(4.07) 1.L71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.46 C 0.45 K 0.05 A 0.02 C Shift Assignments>> C :: 178.910 CA :: 56.018 CB :: 40.576 CD1 :: 23.015 CD2 :: 25.724 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.584 HA :: 4.067 HB2 :: 1.809 HB3 :: 1.484 HD11 :: 0.690 HD12 :: 0.690 HD13 :: 0.690 HD21 :: 0.740 HD22 :: 0.740 HD23 :: 0.740 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 115.876 Ave N Shift Values>> N :: 121.98(4.07) 1.T72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 177.178 CA :: 65.823 CB :: 68.647 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.566 HA :: 3.905 HB :: 4.263 HG21 :: 1.303 HG22 :: 1.303 HG23 :: 1.303 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 112.928 Ave N Shift Values>> N :: 115.7(5.05) 1.T73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.139 CA :: 63.892 CB :: 68.647 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.787 HA :: 4.204 HG21 :: 1.264 HG22 :: 1.264 HG23 :: 1.264 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 113.093 Ave N Shift Values>> N :: 115.7(5.05) 1.L74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 C 0.37 A 0.09 K 0.07 HN Overlap>> 1.V121 1.V121 C Shift Assignments>> C :: 177.374 CA :: 54.776 CB :: 41.291 CD1 :: 22.547 CD2 :: 26.000 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.572 HA :: 4.368 HB2 :: 1.892 HB3 :: 1.635 HD11 :: 0.603 HD12 :: 0.603 HD13 :: 0.603 HD21 :: 0.596 HD22 :: 0.596 HD23 :: 0.596 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.543 Ave N Shift Values>> N :: 121.98(4.07) 1.G75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.67 C 0.23 L 0.03 P 0.02 A 0.02 C Shift Assignments>> C :: 173.352 CA :: 47.389 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.735 HA2 :: 4.159 HA3 :: 3.620 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.511 Ave N Shift Values>> N :: 109.91(4.29) 1.P76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.71 C 0.27 C Shift Assignments>> CA :: 65.137 CB :: 32.352 CG :: 28.150 CD :: 51.391 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.275 HB2 :: 2.009 HB3 :: 2.009 HG2 :: 2.346 HG3 :: 2.346 HD2 :: 3.689 HD3 :: 3.689 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.L77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.32 K 0.11 G 0.01 C Shift Assignments>> C :: 178.407 CA :: 56.994 CB :: 42.033 CD1 :: 23.655 CD2 :: 25.608 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.786 HA :: 4.285 HB2 :: 1.936 HB3 :: 1.799 HG :: 1.575 HD11 :: 0.907 HD12 :: 0.907 HD13 :: 0.907 HD21 :: 0.876 HD22 :: 0.876 HD23 :: 0.876 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 116.168 Ave N Shift Values>> N :: 121.98(4.07) 1.F78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 F 0.25 C 0.2 I 0.14 E 0.03 D 0.03 L 0.02 C Shift Assignments>> C :: 176.619 CA :: 58.436 CB :: 39.056 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.771 HA :: 4.384 HB2 :: 3.179 HB3 :: 3.023 HD1 :: 7.102 HD2 :: 7.102 HE1 :: 7.143 HE2 :: 7.143 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 114.710 Ave N Shift Values>> N :: 120.69(4.18) 1.R79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 C 0.37 K 0.17 M 0.02 C Shift Assignments>> C :: 176.759 CA :: 58.335 CB :: 29.938 CG :: 27.972 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.759 HA :: 3.982 HB2 :: 1.789 HB3 :: 1.789 HG2 :: 1.626 HG3 :: 1.626 HD2 :: 3.160 HD3 :: 3.160 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.339 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.N80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.52 C 0.24 D 0.05 Y 0.05 E 0.03 M 0.03 F 0.03 HN Overlap>> 1.K26 1.K26 C Shift Assignments>> C :: 173.854 CA :: 52.149 CB :: 37.205 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.951 HA :: 4.983 HB2 :: 2.997 HB3 :: 2.762 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 117.802 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.S81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.54 T 0.45 C Shift Assignments>> C :: 172.765 CA :: 58.335 CB :: 66.974 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.696 HA :: 4.578 HB2 :: 3.374 HB3 :: 3.301 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.887 Ave N Shift Values>> N :: 116.3(3.95) 1.R82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.36 C 0.36 G 0.22 K 0.04 C Shift Assignments>> C :: 174.999 CA :: 54.975 CB :: 31.547 CG :: 27.614 CD :: 44.240 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.786 HA :: 4.526 HB2 :: 1.633 HB3 :: 1.759 HG2 :: 1.568 HG3 :: 1.568 HD2 :: 3.192 HD3 :: 3.036 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 121.822 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.M83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.39 C 0.36 E 0.11 Q 0.11 K 0.01 C Shift Assignments>> C :: 175.977 CA :: 54.944 CB :: 34.504 CG :: 32.620 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.889 HA :: 5.521 HB2 :: 2.016 HB3 :: 2.016 HG2 :: 2.620 HG3 :: 2.470 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 124.438 Ave N Shift Values>> N :: 120.1(3.88) 1.V84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.7 V 0.27 A 0.01 C Shift Assignments>> C :: 174.050 CA :: 59.013 CB :: 33.524 CG1 :: 18.944 CG2 :: 22.430 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.432 HA :: 4.855 HB :: 2.160 HG11 :: 0.779 HG12 :: 0.779 HG13 :: 0.779 HG21 :: 0.765 HG22 :: 0.765 HG23 :: 0.765 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.402 Ave N Shift Values>> N :: 121.02(4.96) 1.Q85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 M 0.24 Q 0.23 E 0.12 K 0.12 R 0.01 C Shift Assignments>> C :: 175.418 CA :: 55.280 CB :: 30.842 CG :: 33.961 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.748 HA :: 5.281 HB2 :: 1.979 HB3 :: 1.979 HG2 :: 2.640 HG3 :: 2.288 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 122.104 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.F86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.22 L 0.15 F 0.15 C 0.12 R 0.12 Y 0.11 D 0.06 I 0.02 C Shift Assignments>> C :: 174.469 CA :: 57.532 CB :: 41.838 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.595 HA :: 5.107 HB2 :: 2.903 HB3 :: 2.285 HD1 :: 6.902 HD2 :: 6.902 HE1 :: 6.695 HE2 :: 6.695 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 126.706 Ave N Shift Values>> N :: 120.69(4.18) 1.H87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.2 Q 0.2 C 0.2 K 0.17 E 0.05 H 0.04 W 0.03 R 0.03 V 0.01 C Shift Assignments>> C :: 173.016 CA :: 55.414 CB :: 33.881 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 9.347 HA :: 4.972 HB2 :: 3.193 HB3 :: 2.856 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 122.099 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.F88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.2 K 0.17 Y 0.16 C 0.14 L 0.13 D 0.08 I 0.04 R 0.04 N 0.01 C Shift Assignments>> C :: 175.726 CA :: 57.532 CB :: 41.033 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.442 HA :: 4.912 HB2 :: 2.602 HB3 :: 3.186 HD1 :: 7.069 HD2 :: 7.069 HE1 :: 6.395 HE2 :: 6.395 HZ :: 6.303 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 125.035 Ave N Shift Values>> N :: 120.69(4.18) 1.T89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 174.189 CA :: 61.974 CB :: 69.567 CG2 :: 21.893 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.098 HA :: 4.305 HG21 :: 1.276 HG22 :: 1.276 HG23 :: 1.276 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 113.706 Ave N Shift Values>> N :: 115.7(5.05) 1.N90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.5 C 0.19 D 0.12 Y 0.07 F 0.05 E 0.02 L 0.01 M 0.01 C Shift Assignments>> C :: 175.418 CA :: 52.889 CB :: 38.099 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.439 HA :: 4.767 HB2 :: 2.872 HB3 :: 2.872 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 119.986 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.K91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.19 K 0.17 M 0.15 Q 0.14 W 0.07 R 0.07 H 0.05 V 0.05 E 0.05 C Shift Assignments>> C :: 176.396 CA :: 57.633 CB :: 33.067 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.036 HA :: 4.192 HB2 :: 1.775 HB3 :: 1.775 HE2 :: 3.077 HE3 :: 3.077 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.055 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 N 0.23 L 0.13 C 0.11 F 0.06 Y 0.06 K 0.04 HN Overlap>> 1.K97 1.K97 C Shift Assignments>> C :: 176.228 CA :: 53.131 CB :: 40.513 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.155 HA :: 4.822 HB2 :: 2.916 HB3 :: 2.686 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.175 Ave N Shift Values>> N :: 120.73(4.2) 1.L93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.38 K 0.03 C Shift Assignments>> C :: 178.938 CA :: 57.129 CB :: 41.391 CD1 :: 23.523 CD2 :: 24.874 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.123 HA :: 4.079 HB2 :: 1.749 HB3 :: 1.634 HD11 :: 0.918 HD12 :: 0.918 HD13 :: 0.918 HD21 :: 1.007 HD22 :: 1.007 HD23 :: 1.007 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.381 Ave N Shift Values>> N :: 121.98(4.07) 1.E94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.29 I 0.26 K 0.06 Q 0.01 C Shift Assignments>> C :: 179.915 CA :: 59.518 CB :: 28.696 CG :: 36.463 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.611 HA :: 4.045 HB2 :: 2.112 HB3 :: 2.112 HG2 :: 2.340 HG3 :: 2.340 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.986 Ave N Shift Values>> N :: 120.68(3.68) 1.S95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.670 CA :: 61.907 CB :: 62.757 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.275 HA :: 4.249 HB2 :: 3.912 HB3 :: 3.791 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.123 Ave N Shift Values>> N :: 116.3(3.95) 1.L96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.38 R 0.06 C Shift Assignments>> CA :: 57.297 CB :: 41.470 CG :: 26.759 CD1 :: 23.212 CD2 :: 25.714 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.580 HA :: 3.864 HB2 :: 1.741 HB3 :: 1.313 HG :: 0.766 HD11 :: 0.388 HD12 :: 0.388 HD13 :: 0.388 HD21 :: 0.766 HD22 :: 0.766 HD23 :: 0.766 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.836 Ave N Shift Values>> N :: 121.98(4.07) 1.K97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.18 V 0.17 W 0.13 R 0.09 E 0.08 K 0.08 M 0.06 H 0.05 I 0.04 P 0.03 Q 0.03 HN Overlap>> 1.M103 1.D92 1.M103 1.D92 C Shift Assignments>> C :: 179.915 CA :: 60.048 CB :: 31.752 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.234 HA :: 3.864 HB2 :: 1.886 HB3 :: 1.811 HG2 :: 1.632 HG3 :: 1.632 HE2 :: 2.927 HE3 :: 2.927 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.153 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.72 C 0.2 L 0.03 A 0.01 C Shift Assignments>> C :: 175.754 CA :: 47.154 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.980 HA2 :: 4.057 HA3 :: 3.830 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.345 Ave N Shift Values>> N :: 109.91(4.29) 1.L99 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.68 L 0.25 A 0.03 I 0.01 C Shift Assignments>> C :: 178.798 CA :: 57.432 CB :: 40.129 CD1 :: 21.692 CD2 :: 24.503 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.760 HA :: 3.761 HB2 :: 1.138 HB3 :: 1.414 HG :: 0.802 HD11 :: -0.454(S) HD12 :: -0.454(S) HD13 :: -0.454(S) HD21 :: -0.603(S) HD22 :: -0.603(S) HD23 :: -0.603(S) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 124.839 Ave N Shift Values>> N :: 121.98(4.07) 1.Y100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.35 C 0.22 Y 0.18 F 0.13 E 0.07 V 0.01 C Shift Assignments>> C :: 179.440 CA :: 60.820 CB :: 37.563 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.156 HA :: 3.707 HB2 :: 2.871 HB3 :: 2.773 HD1 :: 6.633 HD2 :: 6.633 HE1 :: 6.558 HE2 :: 6.558 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 117.041 Ave N Shift Values>> N :: 120.79(4.69) 1.R101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.37 G 0.13 K 0.04 L 0.01 C Shift Assignments>> C :: 178.547 CA :: 59.309 CB :: 29.670 CG :: 27.793 CD :: 43.704 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.948 HA :: 3.946 HB2 :: 1.902 HB3 :: 1.902 HG2 :: 1.728 HG3 :: 1.572 HD2 :: 3.245 HD3 :: 3.245 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.114 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.I102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.88 C 0.11 C Shift Assignments>> CA :: 64.043 CB :: 38.457 CG1 :: 28.720 CG2 :: 18.318 CD1 :: 14.094 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.795 HA :: 4.006 HB :: 1.712 HG12 :: 1.425 HG13 :: 1.425 HG21 :: 0.677 HG22 :: 0.677 HG23 :: 0.677 HD11 :: 0.588 HD12 :: 0.588 HD13 :: 0.588 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 118.244 Ave N Shift Values>> N :: 121.6(4.72) 1.M103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.25 Q 0.16 M 0.1 K 0.05 I 0.01 HN Overlap>> 1.K97 1.K97 C Shift Assignments>> C :: 179.552 CA :: 58.234 CB :: 31.752 CG :: 34.586 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.288 HA :: 4.683 HB2 :: 2.246 HB3 :: 1.802 HG2 :: 2.486 HG3 :: 2.486 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 118.147 Ave N Shift Values>> N :: 120.1(3.88) 1.G104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.09 L 0.07 R 0.01 C Shift Assignments>> C :: 174.217 CA :: 45.744 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.173 HA2 :: 4.264 HA3 :: 3.926 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.264 Ave N Shift Values>> N :: 109.91(4.29) 1.N105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 D 0.21 C 0.14 Y 0.06 F 0.06 L 0.04 C Shift Assignments>> C :: 175.223 CA :: 52.795 CB :: 39.056 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.639 HA :: 5.109 HB2 :: 3.225 HB3 :: 2.958 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.667 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.11 L 0.05 C Shift Assignments>> C :: 174.469 CA :: 46.281 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.127 HA2 :: 4.174 HA3 :: 3.785 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.055 Ave N Shift Values>> N :: 109.91(4.29) 1.F107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.22 F 0.16 C 0.13 L 0.13 R 0.13 Y 0.12 D 0.04 I 0.03 HN Overlap>> 1.W15 1.W15 C Shift Assignments>> C :: 173.715 CA :: 58.234 CB :: 41.917 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.555 HA :: 4.998 HB2 :: 2.865 HB3 :: 2.711 HD1 :: 7.067 HD2 :: 7.067 HE1 :: 7.338 HE2 :: 7.338 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 118.790 Ave N Shift Values>> N :: 120.69(4.18) 1.A108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.33 L 0.29 C 0.22 M 0.08 K 0.02 P 0.01 C Shift Assignments>> C :: 175.670 CA :: 50.064 CB :: 22.796 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.188 HA :: 4.878 HB1 :: 1.321 HB2 :: 1.321 HB3 :: 1.321 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.306 Ave N Shift Values>> N :: 123.23(3.7) 1.G109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.58 L 0.16 R 0.1 C 0.09 F 0.01 D 0.01 C Shift Assignments>> C :: 172.514 CA :: 44.778 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.341 HA2 :: 5.042 HA3 :: 3.680 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.131 Ave N Shift Values>> N :: 109.91(4.29) 1.C110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.14 W 0.13 Q 0.12 E 0.12 C 0.12 H 0.1 R 0.1 I 0.07 L 0.02 M 0.01 C Shift Assignments>> C :: 173.296 CA :: 58.273 CB :: 28.712 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.489 HA :: 5.105 HB2 :: 2.779 HB3 :: 2.482 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 124.647 Ave N Shift Values>> N :: 119.95(4.79) 1.V111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.65 C 0.34 C Shift Assignments>> C :: 173.687 CA :: 61.368 CB :: 32.719 CG1 :: 20.705 CG2 :: 22.376 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.265 HA :: 4.505 HB :: 1.896 HG11 :: 0.519 HG12 :: 0.519 HG13 :: 0.519 HG21 :: 0.474 HG22 :: 0.474 HG23 :: 0.474 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 131.172 Ave N Shift Values>> N :: 121.02(4.96) 1.H112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.14 H 0.14 R 0.14 C 0.14 W 0.11 K 0.1 E 0.1 Q 0.09 C Shift Assignments>> C :: 175.390 CA :: 55.414 CB :: 31.200 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.709 HA :: 5.131 HB2 :: 3.124 HB3 :: 2.986 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 125.046 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.F113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 Y 0.18 N 0.17 F 0.13 E 0.09 D 0.08 I 0.03 M 0.02 L 0.02 C Shift Assignments>> C :: 173.910 CA :: 55.548 CB :: 37.994 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.527 HA :: 4.512 HB2 :: 2.969 HB3 :: 2.683 HD1 :: 6.575 HD2 :: 6.575 HE1 :: 5.699 HE2 :: 5.699 HZ :: 4.931 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 125.507 Ave N Shift Values>> N :: 120.69(4.18) 1.P114 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H115 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.106 CA :: 61.659 CB :: 69.271 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.771 HA :: 4.165 HB :: 4.345 HG21 :: 1.097 HG22 :: 1.097 HG23 :: 1.097 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 109.957 Ave N Shift Values>> N :: 115.7(5.05) 1.A117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.09 C 0.01 C Shift Assignments>> C :: 175.586 CA :: 50.366 CB :: 18.763 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.911 HA :: 4.750 HB1 :: 1.456 HB2 :: 1.456 HB3 :: 1.456 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.900 Ave N Shift Values>> N :: 123.23(3.7) 1.P118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.68 A 0.12 N 0.07 D 0.03 C 0.02 L 0.01 C Shift Assignments>> CD :: 50.334 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HD2 :: 3.697 HD3 :: 3.845 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.C119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.2 Q 0.19 M 0.16 K 0.14 V 0.13 P 0.05 W 0.02 E 0.02 R 0.02 H 0.01 C Shift Assignments>> CB :: 33.582 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 10.449 HB2 :: 2.869 HB3 :: 3.109 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 122.843 Ave N Shift Values>> N :: 119.95(4.79) 1.E120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.36 I 0.16 K 0.06 M 0.02 Q 0.01 C Shift Assignments>> C :: 176.591 CA :: 57.970 CB :: 29.322 CG :: 36.910 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.587 HA :: 4.154 HB2 :: 2.083 HB3 :: 2.083 HG2 :: 2.313 HG3 :: 2.313 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.831 Ave N Shift Values>> N :: 120.68(3.68) 1.V121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.83 C 0.16 HN Overlap>> 1.L74 1.L74 C Shift Assignments>> C :: 173.128 CA :: 63.439 CB :: 31.905 CG1 :: 21.920 CG2 :: 21.312 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.620 HA :: 3.387 HB :: 1.270 HG11 :: 0.768 HG12 :: 0.768 HG13 :: 0.768 HG21 :: -0.038 HG22 :: -0.038 HG23 :: -0.038 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.532 Ave N Shift Values>> N :: 121.02(4.96) 1.R122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.11 M 0.1 H 0.09 Q 0.08 K 0.07 R 0.07 C 0.07 D 0.06 W 0.05 E 0.05 Y 0.04 F 0.04 N 0.02 A 0.02 S 0.02 HN Overlap>> 1.E23 1.E23 C Shift Assignments>> C :: 176.843 CA :: 55.817 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.690 HA :: 4.402 HD2 :: 3.109 HD3 :: 3.109 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.504 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.V123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 V 0.45 C Shift Assignments>> C :: 171.285 CA :: 59.619 CB :: 34.855 CG1 :: 21.084 CG2 :: 21.844 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.926 HA :: 5.336 HB :: 1.841 HG11 :: 0.738 HG12 :: 0.738 HG13 :: 0.738 HG21 :: 0.607 HG22 :: 0.607 HG23 :: 0.607 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.311 Ave N Shift Values>> N :: 121.02(4.96) 1.L124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.55 C 0.3 L 0.13 HN Overlap>> 1.E23 1.E23 C Shift Assignments>> C :: 173.854 CA :: 53.769 CB :: 46.129 CD1 :: 26.759 CD2 :: 25.650 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.490 HA :: 4.688 HB2 :: 1.532 HB3 :: 1.403 HG :: 0.743 HD11 :: 0.582 HD12 :: 0.582 HD13 :: 0.582 HD21 :: 0.597 HD22 :: 0.597 HD23 :: 0.597 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.447 Ave N Shift Values>> N :: 121.98(4.07) 1.M125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.46 C 0.39 Q 0.08 E 0.03 K 0.01 C Shift Assignments>> C :: 173.687 CA :: 52.157 CB :: 34.076 CG :: 32.441 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.926 HA :: 5.528 HB2 :: 1.895 HB3 :: 1.815 HG2 :: 2.375 HG3 :: 2.180 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 120.636 Ave N Shift Values>> N :: 120.1(3.88) 1.L126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.34 L 0.33 C 0.21 R 0.08 C Shift Assignments>> C :: 174.329 CA :: 53.865 CB :: 44.625 CG :: 28.150 CD1 :: 25.643 CD2 :: 24.351 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.517 HA :: 5.134 HB2 :: 1.522 HB3 :: 0.682 HG :: 1.196 HD11 :: 0.324 HD12 :: 0.324 HD13 :: 0.324 HD21 :: 0.152 HD22 :: 0.152 HD23 :: 0.152 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 127.006 Ave N Shift Values>> N :: 121.98(4.07) 1.L127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.51 L 0.22 C 0.2 R 0.04 C Shift Assignments>> C :: 175.251 CA :: 53.702 CB :: 45.235 CG :: 28.329 CD1 :: 25.469 CD2 :: 24.699 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.089 HA :: 4.958 HB2 :: 1.624 HB3 :: 1.502 HD11 :: 0.815 HD12 :: 0.815 HD13 :: 0.815 HD21 :: 0.870 HD22 :: 0.870 HD23 :: 0.870 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 125.161 Ave N Shift Values>> N :: 121.98(4.07) 1.Y128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.18 Y 0.16 D 0.15 L 0.14 C 0.14 K 0.12 N 0.03 I 0.02 R 0.02 C Shift Assignments>> C :: 174.999 CA :: 56.522 CB :: 40.666 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.919 HA :: 4.775 HB2 :: 2.517 HB3 :: 2.570 HD1 :: 5.908 HD2 :: 5.908 HE1 :: 6.219 HE2 :: 6.219 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 121.880 Ave N Shift Values>> N :: 120.79(4.69) 1.S129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.515 CA :: 54.942 CB :: 63.373 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.875 HA :: 4.581 HB2 :: 3.576 HB3 :: 3.737 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 121.709 Ave N Shift Values>> N :: 116.3(3.95) 1.S130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.Q68 1.Q68 C Shift Assignments>> C :: 175.977 CA :: 60.551 CB :: 62.846 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.641 HA :: 3.891 HB2 :: 3.917 HB3 :: 3.917 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 124.566 Ave N Shift Values>> N :: 116.3(3.95) 1.K131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.18 K 0.14 W 0.11 M 0.11 R 0.1 V 0.09 E 0.08 H 0.07 Q 0.06 I 0.01 C Shift Assignments>> C :: 178.044 CA :: 58.609 CB :: 32.352 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.928 HA :: 4.065 HB2 :: 1.713 HB3 :: 1.652 HG2 :: 1.451 HG3 :: 1.451 HE2 :: 2.944 HE3 :: 2.944 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.788 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.19 Q 0.19 C 0.18 K 0.18 R 0.05 W 0.05 H 0.05 E 0.03 V 0.02 C Shift Assignments>> C :: 175.307 CA :: 56.052 CB :: 33.424 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.509 HA :: 4.200 HB2 :: 1.638 HB3 :: 1.638 HG2 :: 1.350 HG3 :: 1.350 HE2 :: 2.917 HE3 :: 2.917 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 114.952 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.17 H 0.14 R 0.14 W 0.13 C 0.13 E 0.12 L 0.05 I 0.04 M 0.02 K 0.01 C Shift Assignments>> C :: 175.446 CA :: 56.927 CB :: 28.533 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.871 HA :: 3.756 HB2 :: 1.616 HB3 :: 1.548 HG2 :: 1.266 HG3 :: 1.266 HE2 :: 2.971 HE3 :: 2.971 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 116.375 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 I 0.3 G 0.11 C Shift Assignments>> C :: 173.854 CA :: 59.080 CB :: 42.900 CG1 :: 25.848 CD1 :: 13.680 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 6.777 HA :: 4.851 HB :: 1.859 HG12 :: 1.315 HG13 :: 1.315 HG21 :: 0.911 HG22 :: 0.911 HG23 :: 0.911 HD11 :: 0.777 HD12 :: 0.777 HD13 :: 0.777 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 110.709 Ave N Shift Values>> N :: 121.6(4.72) 1.F135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.23 C 0.17 I 0.08 L 0.08 K 0.07 D 0.06 N 0.01 C Shift Assignments>> C :: 174.860 CA :: 58.033 CB :: 40.318 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.198 HA :: 5.162 HB2 :: 3.574 HB3 :: 2.887 HD1 :: 7.263 HD2 :: 7.263 HE1 :: 6.971 HE2 :: 6.971 HZ :: 6.067 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 121.970 Ave N Shift Values>> N :: 120.69(4.18) 1.M136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 M 0.34 E 0.18 Q 0.08 K 0.02 C Shift Assignments>> C :: 174.459 CA :: 53.937 CB :: 35.328 CG :: 31.905 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 9.234 HA :: 5.235 HB2 :: 2.013 HB3 :: 2.013 HG2 :: 2.482 HG3 :: 2.482 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 122.507 Ave N Shift Values>> N :: 120.1(3.88) 1.G137 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.27 G 0.26 L 0.25 C 0.1 D 0.03 F 0.03 Y 0.01 K 0.01 C Shift Assignments>> C :: 171.815 CA :: 44.065 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.263 HA2 :: 5.490(S) HA3 :: 3.224 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.580 Ave N Shift Values>> N :: 109.91(4.29) 1.L138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 C 0.24 R 0.22 G 0.06 C Shift Assignments>> C :: 176.005 CA :: 53.562 CB :: 43.016 CG :: 28.508 CD1 :: 25.564 CD2 :: 24.471 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.630 HA :: 5.190 HB2 :: 1.537 HB3 :: 1.357 HD11 :: 0.697 HD12 :: 0.697 HD13 :: 0.697 HD21 :: 0.719 HD22 :: 0.719 HD23 :: 0.719 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 125.101 Ave N Shift Values>> N :: 121.98(4.07) 1.I139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 I 0.45 M 0.02 C Shift Assignments>> C :: 174.273 CA :: 58.369 CB :: 38.620 CD1 :: 14.197 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.253 HA :: 4.479 HB :: 1.814 HD11 :: 0.812 HD12 :: 0.812 HD13 :: 0.812 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 123.068 Ave N Shift Values>> N :: 121.6(4.72) 1.P140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.78 C 0.21 C Shift Assignments>> CA :: 62.950 CB :: 31.915 CG :: 26.988 CD :: 51.123 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.507 HG2 :: 1.001 HG3 :: 1.001 HD2 :: 3.626 HD3 :: 3.269 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) N Shift Assignments>> N :: 127.000 Ave N Shift Values>> N :: 127.4(10.05) 1.Y141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.39 C 0.2 Y 0.18 F 0.15 E 0.04 C Shift Assignments>> C :: 177.513 CA :: 61.099 CB :: 37.994 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.583 HA :: 4.404 HB2 :: 3.078 HB3 :: 2.801 HD1 :: 7.096 HD2 :: 7.096 HE1 :: 6.726 HE2 :: 6.726 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 123.300 Ave N Shift Values>> N :: 120.79(4.69) 1.D142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.57 C 0.17 D 0.13 Y 0.04 F 0.03 L 0.01 C Shift Assignments>> C :: 176.228 CA :: 51.653 CB :: 38.431 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.852 HA :: 4.910 HB2 :: 3.102 HB3 :: 2.582 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.783 Ave N Shift Values>> N :: 120.73(4.2) 1.Q143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 E 0.25 Q 0.14 K 0.13 I 0.08 M 0.05 R 0.01 C Shift Assignments>> C :: 177.792 CA :: 59.720 CB :: 29.759 CG :: 34.854 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.860 HA :: 3.668 HB2 :: 2.225 HB3 :: 2.225 HG2 :: 2.549 HG3 :: 2.483 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 123.653 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.S144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.150 CA :: 61.536 CB :: 62.389 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.702 HA :: 4.124 HB2 :: 3.913 HB3 :: 3.872 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.029 Ave N Shift Values>> N :: 116.3(3.95) 1.G145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.73 C 0.19 L 0.03 A 0.01 C Shift Assignments>> C :: 176.982 CA :: 47.121 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.580 HA2 :: 3.816 HA3 :: 3.816 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.516 Ave N Shift Values>> N :: 109.91(4.29) 1.F146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.51 F 0.16 C 0.15 Y 0.14 HN Overlap>> 1.L36 1.L36 C Shift Assignments>> C :: 176.616 CA :: 62.230 CB :: 38.888 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.476 HA :: 4.090 HB2 :: 3.079 HB3 :: 3.004 HD1 :: 7.047 HD2 :: 7.047 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 123.732 Ave N Shift Values>> N :: 120.69(4.18) 1.V147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 C 0.04 C Shift Assignments>> C :: 178.351 CA :: 67.166 CB :: 31.484 CG1 :: 23.516 CG2 :: 20.857 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.543 HA :: 3.471 HB :: 2.189 HG11 :: 1.087 HG12 :: 1.087 HG13 :: 1.087 HG21 :: 0.970 HG22 :: 0.970 HG23 :: 0.970 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.825 Ave N Shift Values>> N :: 121.02(4.96) 1.N148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 Y 0.21 F 0.15 N 0.12 E 0.09 D 0.07 I 0.04 L 0.02 M 0.01 C Shift Assignments>> C :: 177.625 CA :: 56.018 CB :: 38.188 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.912 HA :: 4.428 HB2 :: 2.812 HB3 :: 2.812 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 116.734 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 C 0.18 L 0.03 C Shift Assignments>> C :: 175.754 CA :: 47.020 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.188 HA2 :: 3.846 HA3 :: 3.502 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.414 Ave N Shift Values>> N :: 109.91(4.29) 1.I150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.73 C 0.26 C Shift Assignments>> C :: 176.871 CA :: 62.331 CB :: 36.921 CG1 :: 28.540 CD1 :: 13.031 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.625 HA :: 3.874 HB :: 1.530 HG12 :: 1.246 HG13 :: 1.125 HG21 :: 0.885 HG22 :: 0.885 HG23 :: 0.885 HD11 :: 0.605 HD12 :: 0.605 HD13 :: 0.605 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.877 Ave N Shift Values>> N :: 121.6(4.72) 1.R151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 C 0.37 G 0.15 K 0.03 L 0.01 C Shift Assignments>> C :: 178.742 CA :: 59.376 CB :: 29.491 CG :: 27.972 CD :: 43.793 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.608 HA :: 3.990 HB2 :: 1.924 HB3 :: 1.924 HG2 :: 1.610 HG3 :: 1.610 HD2 :: 3.180 HD3 :: 3.180 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.885 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.Q152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 Q 0.22 K 0.21 E 0.17 I 0.04 R 0.04 M 0.02 C Shift Assignments>> C :: 177.681 CA :: 58.436 CB :: 28.623 CG :: 34.407 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.687 HA :: 4.085 HB2 :: 2.154 HB3 :: 2.154 HG2 :: 2.435 HG3 :: 2.361 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 117.484 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.V153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.91 C 0.08 C Shift Assignments>> C :: 178.072 CA :: 64.916 CB :: 31.662 CG1 :: 21.804 CG2 :: 21.356 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.794 HA :: 4.008 HB :: 2.203 HG11 :: 0.936 HG12 :: 0.936 HG13 :: 0.936 HG21 :: 1.013 HG22 :: 1.013 HG23 :: 1.013 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 116.721 Ave N Shift Values>> N :: 121.02(4.96) 1.I154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.85 C 0.14 HN Overlap>> 1.H157 1.N156 1.H157 1.N156 C Shift Assignments>> C :: 177.652 CA :: 63.730 CB :: 37.805 CG1 :: 28.776 CG2 :: 17.692 CD1 :: 13.093 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.127 HA :: 3.965 HB :: 1.999 HG12 :: 1.629 HG13 :: 1.629 HG21 :: 0.938 HG22 :: 0.938 HG23 :: 0.938 HD11 :: 0.812 HD12 :: 0.812 HD13 :: 0.812 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.673 Ave N Shift Values>> N :: 121.6(4.72) 1.T155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.335 CA :: 64.748 CB :: 69.209 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.030 HA :: 4.061 HB :: 4.249 HG21 :: 1.189 HG22 :: 1.189 HG23 :: 1.189 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.859 Ave N Shift Values>> N :: 115.7(5.05) 1.N156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.31 C 0.19 D 0.15 Y 0.13 F 0.1 L 0.03 E 0.03 I 0.01 M 0.01 HN Overlap>> 1.H157 1.H157 1.I154 1.I154 C Shift Assignments>> C :: 175.586 CA :: 54.437 CB :: 38.546 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.195 HA :: 4.622 HB2 :: 2.869 HB3 :: 2.869 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 119.691 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.H157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.14 W 0.14 H 0.13 R 0.12 Q 0.12 C 0.11 K 0.1 M 0.05 I 0.02 V 0.01 HN Overlap>> 1.N156 1.I154 1.N156 1.I154 C Shift Assignments>> C :: 175.502 CA :: 57.294 CB :: 29.859 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.138 HA :: 4.545 HB2 :: 3.286 HB3 :: 3.126 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 119.668 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.K158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.17 K 0.17 M 0.16 Q 0.12 W 0.08 R 0.08 H 0.07 E 0.06 V 0.04 C Shift Assignments>> CA :: 57.297 CB :: 32.798 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.135 HA :: 4.183 HB2 :: 1.829 HB3 :: 1.829 HE2 :: 2.984 HE3 :: 2.984 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.992 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Q159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 Q 0.25 K 0.23 E 0.16 M 0.04 R 0.03 I 0.01 C Shift Assignments>> C :: 176.532 CA :: 56.523 CB :: 28.891 CG :: 34.407 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.212 HA :: 4.264 HB2 :: 2.085 HB3 :: 2.085 HG2 :: 2.404 HG3 :: 2.404 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 120.105 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.V160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.79 C 0.2 C Shift Assignments>> CA :: 62.983 CB :: 32.173 CG1 :: 21.220 CG2 :: 21.200 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.084 HA :: 4.026 HB :: 2.114 HG11 :: 0.930 HG12 :: 0.930 HG13 :: 0.930 HG21 :: 0.895 HG22 :: 0.895 HG23 :: 0.895 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.681 Ave N Shift Values>> N :: 121.02(4.96) 1.Q161 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.330 HA :: 4.293 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 122.859 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Q162 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Q163 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.18 K 0.17 C 0.16 R 0.1 Q 0.09 H 0.09 W 0.08 E 0.06 V 0.02 C Shift Assignments>> CA :: 56.157 CB :: 32.467 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.328 HA :: 4.279 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.739 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L165 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.3 R 0.08 A 0.02 C Shift Assignments>> CA :: 55.110 CB :: 41.838 CG :: 27.390 CD1 :: 23.138 CD2 :: 25.064 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.376 HA :: 4.359 HB2 :: 1.617 HB3 :: 1.617 HD11 :: 0.818 HD12 :: 0.818 HD13 :: 0.818 HD21 :: 0.884 HD22 :: 0.884 HD23 :: 0.884 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 124.803 Ave N Shift Values>> N :: 121.98(4.07) 1.E166 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.14 W 0.14 C 0.14 E 0.13 H 0.11 M 0.09 K 0.09 Q 0.08 V 0.03 I 0.01 C Shift Assignments>> CA :: 57.734 CB :: 31.100 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.866 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 126.131 Ave N Shift Values>> N :: 120.68(3.68) ########################################################################### Overall Results: #Consistent: 161 #Clerical: 0 #Suspicious: 4 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 159 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 7 Shift Relative Order (SRO) Results: #Consistent: 166 #Suspicious: 0 C Shift Results: #Consistent: 584 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent:1038 #Duplicate: 0 #Unknown: 0 #Suspicious: 13 #Anomalous: 1 N Shift Results: #Consistent: 156 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.K26 HE2 = 3.733(S), Expected = 2.93, Std = 0.2000, ChiSquare = 5.9446e-05 1.K26 HE3 = 3.733(S), Expected = 2.93, Std = 0.2000, ChiSquare = 5.9446e-05 1.R38 HB2 = 0.556(S), Expected = 1.79, Std = 0.2800, ChiSquare = 1.0474e-05 1.R38 HB3 = -0.297(A), Expected = 1.78, Std = 0.2800, ChiSquare = 1.1903e-13 1.T54 HG21 = -0.326(S), Expected = 1.16, Std = 0.2800, ChiSquare = 1.1136e-07 1.T54 HG22 = -0.326(S), Expected = 1.16, Std = 0.2800, ChiSquare = 1.1136e-07 1.T54 HG23 = -0.326(S), Expected = 1.16, Std = 0.2800, ChiSquare = 1.1136e-07 1.L99 HD11 = -0.454(S), Expected = 0.77, Std = 0.2700, ChiSquare = 5.8060e-06 1.L99 HD12 = -0.454(S), Expected = 0.77, Std = 0.2700, ChiSquare = 5.8060e-06 1.L99 HD13 = -0.454(S), Expected = 0.77, Std = 0.2700, ChiSquare = 5.8060e-06 1.L99 HD21 = -0.603(S), Expected = 0.76, Std = 0.2800, ChiSquare = 1.1281e-06 1.L99 HD22 = -0.603(S), Expected = 0.76, Std = 0.2800, ChiSquare = 1.1281e-06 1.L99 HD23 = -0.603(S), Expected = 0.76, Std = 0.2800, ChiSquare = 1.1281e-06 1.G137 HA2 = 5.490(S), Expected = 3.95, Std = 0.4000, ChiSquare = 1.1812e-04